2-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]pent-4-ynoic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]pent-4-ynoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]pent-4-ynoic acid CAS Name: 2-[[[4-(4-carbamimidoylphenyl)butylamino]-oxomethyl]amino]-4-pentynoic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]pent-4-ynoic acid Traditional Name: 2-[4-(4-amidinophenyl)butylcarbamoylamino]pent-4-ynoic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)O)NC(=O)NCCCCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

C#CCC(C(=O)O)NC(=O)NCCCCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C17H22N4O3/c1-2-5-14(16(22)23)21-17(24)20-11-4-3-6-12-7-9-13(10-8-12)15(18)19/h1,7-10,14H,3-6,11H2,(H3,18,19)(H,22,23)(H2,20,21,24)